N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol

C16H32N2O9 — CID 169237224

About N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol

N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol (PubChem CID 169237224) has the molecular formula C16H32N2O9 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol.

Molecular Properties

• Compound Name: N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol
• PubChem CID: 169237224
• Molecular Formula: C16H32N2O9
• Molecular Weight: 396.44 g/mol
• Exact Mass: 396.21
• IUPAC Name: N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol
• SMILES: CCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O.CO
• InChI: InChI=1S/C15H28N2O8.CH4O/c1-3-11(20)16-4-5-23-6-7-24-15-12(17-9(2)19)14(22)13(21)10(8-18)25-15;1-2/h10,12-15,18,21-22H,3-8H2,1-2H3,(H,16,20)(H,17,19);2H,1H3
• InChIKey: VSBCYBSKLDMGEQ-UHFFFAOYSA-N
• XLogP: -2.90
• TPSA: 166.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.44
LogP ≤ 5	-2.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol?

The IUPAC name of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol (CID 169237224) is N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol.

What is the SMILES notation for N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol?

The canonical SMILES for N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol is CCC(=O)NCCOCCOC1OC(CO)C(O)C(O)C1NC(C)=O.CO.

What is the InChIKey of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol?

The InChIKey is VSBCYBSKLDMGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O8.CH4O/c1-3-11(20)16-4-5-23-6-7-24-15-12(17-9(2)19)14(22)13(21)10(8-18)25-15;1-2/h10,12-15,18,21-22H,3-8H2,1-2H3,(H,16,20)(H,17,19);2H,1H3.

What are the key properties of N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol?

N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol has a molecular weight of 396.44 g/mol, XLogP of -2.90, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol is sourced from PubChem (CID 169237224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).